o-Xylene
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CAS Number 95-47-6
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Catalog Number io-3204
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Classification Hydrocarbons
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Molecular Weight 106.1600
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SMILES CC1=CC=CC=C1C
| Size | QTY | Notes | |
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O-xylene is a xylene substituted by methyl groups at positions 1 and 2.
| 1 | O-XYLENE |
| 2 | 1,2-Dimethylbenzene |
| 3 | 1,2-Xylene |
| 4 | Ortho-Xylene |
| 5 | o-Xylol |
| Molecular Formula | C8H10 |
|---|---|
| Canonical SMILES | CC1=CC=CC=C1C |
| Isomeric SMILES | CC1=CC=CC=C1C |
| Molecular Weight | 106.1600 |
| InChIKey | CTQNGGLPUBDAKN-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3 |
| XLogP | 3.1000 |
| ExactMass | 106.0783 |
| MonoisotopicMass | 106.0783 |
| TPSA | 0.0000 |
| Complexity | 56.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 8 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 143562 |
| PatentFamilyCount | 78618 |
| LiteratureCount | 58918 |
